2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide

C21H26N2O3 — CID 132653456

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-3-19(21(25)22-4-2)23(15-17-11-7-5-8-12-17)20(24)16-26-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)
InChIKeyMCVOZMVDPZOLNA-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.01
Rot. Bonds9

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide (PubChem CID 132653456) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
PubChem CID132653456
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-3-19(21(25)22-4-2)23(15-17-11-7-5-8-12-17)20(24)16-26-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)
InChIKeyMCVOZMVDPZOLNA-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100536498
2-[(4-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide
CID 132659011
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-[(2R)-butan-2-yl]butanamide
CID 100640479
N-ethyl-2-[(2-methylphenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 132655269
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132664540
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132660834
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132667182
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 100542869
2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 132663765
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-methylbutanamide
CID 132655548
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-butylbutanamide
CID 132720002

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide (CID 132653456) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide is CCNC(=O)C(CC)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
The InChIKey is MCVOZMVDPZOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-19(21(25)22-4-2)23(15-17-11-7-5-8-12-17)20(24)16-26-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide has a molecular weight of 354.45 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-ethylbutanamide is sourced from PubChem (CID 132653456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).